SCHEMBL19286997

SCHEMBL19286997

CC(C)(C)c1ccc(C(=O)O)c(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTPN5 P54829 1/20 0.46
KDM1A O60341 1/20 0.45
MCL1 Q07820 1/20 0.44
KMT2A Q03164 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7552302 0.86 ACLY (0.64) ACLYAKR1C3AKR1C2KDM4ESMN1; SMN2
SCHEMBL7556102 0.79 ACLY (0.62) ACLYKDM4ESMN1; SMN2HSD17B10MCL1
SCHEMBL12115606 0.79 HSD17B2 (0.56) TDP1HSD17B10KMT2A
SCHEMBL6307782 0.79 KDM4E (0.62) ACLYAKR1C3AKR1C2KDM4ESMN1; SMN2
SCHEMBL23141169 0.78 KDM4E (0.49) ACLYKDM4ESMN1; SMN2HSD17B10MCL1
SCHEMBL7552232 0.78 LMNA (0.54) ACLYAKR1C3AKR1C2KDM4ESMN1; SMN2
SCHEMBL2365878 0.78 ALDH1A1 (0.58) ACLYAKR1C3AKR1C2KDM4ESMN1; SMN2
SCHEMBL221906 0.78 ACLY (0.49) ACLYKDM4ESMN1; SMN2HSD17B10MCL1
SCHEMBL7556603 0.78 CCR2 (0.63) ACLYKDM4ESMN1; SMN2HSD17B10KMT2A
SCHEMBL28047975 0.77 KDM4E (0.50) ACLYKDM4ESMN1; SMN2HSD17B10MCL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2019-02-05 US disclosed
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF MERCK SHARP & DOHME LLC 2018-01-25 US disclosed
US-9745265-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10196354-B2 4-heteroaryl substituted benzoic acid compounds as RORgammaT inhibitors and uses thereof RORB, RORA, RORC ACLY 3512/4885TDP1 4512/4885AKR1C3 2024/4885
US-20180022701-A1 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORgammaT INHIBITORS AND USES THEREOF RORB, RORA, RORC ACLY 3512/4885TDP1 4512/4885AKR1C3 2024/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.